Information card for entry 7244126
| Formula |
C53 H81 Cd Cl4 N33 O28 S |
| Calculated formula |
C53 H60 Cd Cl4 N33 O20 S |
| Title of publication |
Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril |
| Authors of publication |
Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| Journal volume |
24 |
| Journal issue |
5 |
| Pages of publication |
1035 - 1040 |
| a |
17.535 ± 0.006 Å |
| b |
17.696 ± 0.007 Å |
| c |
18.62 ± 0.007 Å |
| α |
69.886 ± 0.011° |
| β |
78.459 ± 0.012° |
| γ |
66.732 ± 0.011° |
| Cell volume |
4970 ± 3 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1668 |
| Residual factor for significantly intense reflections |
0.1141 |
| Weighted residual factors for significantly intense reflections |
0.2978 |
| Weighted residual factors for all reflections included in the refinement |
0.3415 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7244126.html
